3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C12H18BrF3N2O2 — CID 64998622

IUPAC3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCC(CC)(CBr)CN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C12H18BrF3N2O2/c1-4-11(5-2,6-13)7-18-8(19)10(3,12(14,15)16)17-9(18)20/h4-7H2,1-3H3,(H,17,20)
InChIKeyFEBLAWWUWVPIRM-UHFFFAOYSA-N
MW359.19 g/mol
LogP3.06
Rot. Bonds5

About 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 64998622) has the molecular formula C12H18BrF3N2O2 and a molecular weight of 359.19 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID64998622
Molecular FormulaC12H18BrF3N2O2
Molecular Weight359.19 g/mol
Exact Mass358.05
IUPAC Name3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCCC(CC)(CBr)CN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C12H18BrF3N2O2/c1-4-11(5-2,6-13)7-18-8(19)10(3,12(14,15)16)17-9(18)20/h4-7H2,1-3H3,(H,17,20)
InChIKeyFEBLAWWUWVPIRM-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 64998622) is 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CCC(CC)(CBr)CN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is FEBLAWWUWVPIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrF3N2O2/c1-4-11(5-2,6-13)7-18-8(19)10(3,12(14,15)16)17-9(18)20/h4-7H2,1-3H3,(H,17,20).
What are the key properties of 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 359.19 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-2-ethylbutyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 64998622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).